SCHEMBL5314669

SCHEMBL5314669

CC(=O)N1CCN(Cc2ccc(Nc3nc4ccc(NCc5ccc(F)cc5F)nc4s3)nc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 4/20 0.43
KDR P35968 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
DYRK2 Q92630 6/20 0.40
FAAH O00519 1/20 0.39
RORC P51449 1/20 0.39
DHODH Q02127 1/20 0.39
NTRK1 P04629 1/20 0.39
GPR6 P46095 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5312795 0.93 KDR (0.42) BDKRB1KDRDYRK2FAAHRORC
SCHEMBL5312929 0.93 KDR (0.42) BDKRB1KDRDYRK2FAAHRORC
SCHEMBL5309404 0.91 MEN1 (0.44) KDRMEN1KMT2AATMDYRK2
SCHEMBL5379811 0.90 KDR (0.51) BDKRB1KDR
SCHEMBL5335398 0.83 KDR (0.52) BDKRB1KDR
SCHEMBL5314663 0.83 KDR (0.49) BDKRB1KDR
SCHEMBL5310881 0.82 KDR (0.53) KDR
SCHEMBL5311456 0.81 IDO1 (0.44) BDKRB1DYRK2
SCHEMBL5312081 0.80 MEN1 (0.41) KDRMEN1KMT2AATMDYRK2
SCHEMBL5313599 0.79 KDR (0.52) KDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007058482-A1 NOVEL INHIBITORS OF PROTEIN KINASE LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO claimed